(3R)-1-[3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol

C17H25N5O — CID 97189429

IUPAC(3R)-1-[3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol
SMILESCc1cc(C)c2c(NCCCN3CCC[C@@H](O)C3)ncnc2n1
InChIInChI=1S/C17H25N5O/c1-12-9-13(2)21-17-15(12)16(19-11-20-17)18-6-4-8-22-7-3-5-14(23)10-22/h9,11,14,23H,3-8,10H2,1-2H3,(H,18,19,20,21)/t14-/m1/s1
InChIKeyGBXXGLXFIHPBNJ-CQSZACIVSA-N
MW315.42 g/mol
LogP1.90
Rot. Bonds5

About (3R)-1-[3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol

(3R)-1-[3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol (PubChem CID 97189429) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (3R)-1-[3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol
PubChem CID97189429
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(3R)-1-[3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol
SMILESCc1cc(C)c2c(NCCCN3CCC[C@@H](O)C3)ncnc2n1
InChIInChI=1S/C17H25N5O/c1-12-9-13(2)21-17-15(12)16(19-11-20-17)18-6-4-8-22-7-3-5-14(23)10-22/h9,11,14,23H,3-8,10H2,1-2H3,(H,18,19,20,21)/t14-/m1/s1
InChIKeyGBXXGLXFIHPBNJ-CQSZACIVSA-N
XLogP1.90
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-1-[3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol with MolForge

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Related Compounds

N-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
CID 72895054
5,7-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 97190031
5,7-dimethyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 72840824
(2R)-1-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 97205363
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
CID 72844659
1-[3-[(4-methylphthalazin-1-yl)amino]propyl]piperidin-3-ol
CID 131914653
2-[3-[3-(hydroxymethyl)piperidin-1-yl]propylamino]-5,6-dimethylpyridine-3-carbonitrile
CID 131922825
cyclopentyl-[4-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 72900199
5,7-dimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrido[2,3-d]pyrimidin-4-amine
CID 72858601
6-[3-(3-hydroxypiperidin-1-yl)propylamino]pyridine-3-carboxamide
CID 131915518
N-[3-(3-hydroxypiperidin-1-yl)propyl]-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 131923148
(3R)-1-[3-(pentan-3-ylamino)propyl]piperidin-3-ol
CID 95120625

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol (CID 97189429) is (3R)-1-[3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol is Cc1cc(C)c2c(NCCCN3CCC[C@@H](O)C3)ncnc2n1.
What is the InChIKey of (3R)-1-[3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol?
The InChIKey is GBXXGLXFIHPBNJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12-9-13(2)21-17-15(12)16(19-11-20-17)18-6-4-8-22-7-3-5-14(23)10-22/h9,11,14,23H,3-8,10H2,1-2H3,(H,18,19,20,21)/t14-/m1/s1.
What are the key properties of (3R)-1-[3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol?
(3R)-1-[3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol has a molecular weight of 315.42 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol is sourced from PubChem (CID 97189429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).